(E)-3-[4-(1-adamantyl)phenoxy]hex-3-enoic acid

Systemtic Name: (E)-3-[4-(1-adamantyl)phenoxy]hex-3-enoic acid Openeye Name: (E)-3-[4-(1-adamantyl)phenoxy]hex-3-enoic acid CAS Name: (E)-3-[4-(1-adamantyl)phenoxy]-3-hexenoic acid IUPAC Name: (E)-3-[4-(1-adamantyl)phenoxy]hex-3-enoic acid Traditional Name: (E)-3-[4-(1-adamantyl)phenoxy]hex-3-enoic acid Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(CC(=O)O)OC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC/C=C(\CC(=O)O)/OC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28O3/c1-2-3-20(11-21(23)24)25-19-6-4-18(5-7-19)22-12-15-8-16(13-22)10-17(9-15)14-22/h3-7,15-17H,2,8-14H2,1H3,(H,23,24)/b20-3+